Compound registry
KIN-07 · EGFR mutant-selective — structures, computed properties and batches
Series
Status
| Structure | Compound | Series | R-groups | Formula | MW | cLogP | TPSA (Ų) | Batches | pIC50 mut | Status |
|---|---|---|---|---|---|---|---|---|---|---|
| AFN-001900 | A | R1 CN · R2 F · Ar Phenyl | C17H11FN4 | 290.3 | 3.90 | 61.6 | 0 | — | designed | |
| AFN-001901 | A | R1 CN · R2 F · Ar Pyridin-3-yl | C16H10FN5 | 291.3 | 3.29 | 74.5 | 0 | — | designed | |
| AFN-001902 | A | R1 CN · R2 F · Ar Pyridin-4-yl | C16H10FN5 | 291.3 | 3.29 | 74.5 | 0 | — | designed | |
| AFN-001903 | A | R1 CN · R2 F · Ar Pyridin-2-yl | C16H10FN5 | 291.3 | 3.29 | 74.5 | 0 | — | designed | |
| AFN-001904 | A | R1 CN · R2 F · Ar 3-F-phenyl | C17H10F2N4 | 308.3 | 4.04 | 61.6 | 0 | — | designed | |
| AFN-001905 | A | R1 CN · R2 F · Ar 4-F-phenyl | C17H10F2N4 | 308.3 | 4.04 | 61.6 | 0 | — | designed | |
| AFN-001906 | A | R1 CN · R2 F · Ar 3-Cl-phenyl | C17H10ClFN4 | 324.8 | 4.55 | 61.6 | 0 | — | designed | |
| AFN-001907 | A | R1 CN · R2 F · Ar 3-MeO-phenyl | C18H13FN4O | 320.3 | 3.91 | 70.8 | 0 | — | designed | |
| AFN-001908 | A | R1 CN · R2 F · Ar 2-MeO-phenyl | C18H13FN4O | 320.3 | 3.91 | 70.8 | 0 | — | designed | |
| AFN-001909 | A | R1 CN · R2 F · Ar 3-CN-phenyl | C18H10FN5 | 315.3 | 3.77 | 85.4 | 0 | — | designed | |
| AFN-001910 | A | R1 CN · R2 F · Ar 3,5-diF-phenyl | C17H9F3N4 | 326.3 | 4.18 | 61.6 | 0 | — | designed | |
| AFN-001911 | A | R1 CN · R2 F · Ar Thiophen-2-yl | C15H9FN4S | 296.3 | 3.96 | 61.6 | 0 | — | designed | |
| AFN-001912 | A | R1 CN · R2 F · Ar Thiophen-3-yl | C15H9FN4S | 296.3 | 3.96 | 61.6 | 1 | 8.07 | tested | |
| AFN-001913 | A | R1 CN · R2 F · Ar Furan-3-yl | C15H9FN4O | 280.3 | 3.49 | 74.7 | 0 | — | designed | |
| AFN-001914 | A | R1 CN · R2 F · Ar 1-Me-pyrazol-4-yl | C15H11FN6 | 294.3 | 2.63 | 79.4 | 0 | — | designed | |
| AFN-001915 | A | R1 CN · R2 F · Ar 1-Me-indol-3-yl | C20H14FN5 | 343.4 | 4.39 | 66.5 | 0 | — | designed | |
| AFN-001916 | A | R1 CN · R2 F · Ar Naphthalen-2-yl | C21H13FN4 | 340.4 | 5.05 | 61.6 | 0 | — | designed | |
| AFN-001917 | A | R1 CN · R2 F · Ar Pyrimidin-5-yl | C15H9FN6 | 292.3 | 2.69 | 87.4 | 0 | — | designed | |
| AFN-001918 | A | R1 CN · R2 F · Ar Quinolin-3-yl | C20H12FN5 | 341.4 | 4.45 | 74.5 | 1 | 8.26 | tested | |
| AFN-001919 | A | R1 CN · R2 F · Ar 6-MeO-pyridin-3-yl | C17H12FN5O | 321.3 | 3.30 | 83.7 | 0 | — | designed | |
| AFN-001920 | A | R1 CN · R2 Cl · Ar Phenyl | C17H11ClN4 | 306.8 | 4.41 | 61.6 | 0 | — | designed | |
| AFN-001921 | A | R1 CN · R2 Cl · Ar Pyridin-3-yl | C16H10ClN5 | 307.7 | 3.81 | 74.5 | 0 | — | designed | |
| AFN-001922 | A | R1 CN · R2 Cl · Ar Pyridin-4-yl | C16H10ClN5 | 307.7 | 3.81 | 74.5 | 0 | — | designed | |
| AFN-001923 | A | R1 CN · R2 Cl · Ar Pyridin-2-yl | C16H10ClN5 | 307.7 | 3.81 | 74.5 | 1 | 7.93 | tested | |
| AFN-001924 | A | R1 CN · R2 Cl · Ar 3-F-phenyl | C17H10ClFN4 | 324.8 | 4.55 | 61.6 | 0 | — | designed | |
| AFN-001925 | A | R1 CN · R2 Cl · Ar 4-F-phenyl | C17H10ClFN4 | 324.8 | 4.55 | 61.6 | 0 | — | designed | |
| AFN-001926 | A | R1 CN · R2 Cl · Ar 3-Cl-phenyl | C17H10Cl2N4 | 341.2 | 5.07 | 61.6 | 0 | — | designed | |
| AFN-001927 | A | R1 CN · R2 Cl · Ar 3-MeO-phenyl | C18H13ClN4O | 336.8 | 4.42 | 70.8 | 0 | — | designed | |
| AFN-001928 | A | R1 CN · R2 Cl · Ar 2-MeO-phenyl | C18H13ClN4O | 336.8 | 4.42 | 70.8 | 0 | — | designed | |
| AFN-001929 | A | R1 CN · R2 Cl · Ar 3-CN-phenyl | C18H10ClN5 | 331.8 | 4.28 | 85.4 | 0 | — | designed | |
| AFN-001930 | A | R1 CN · R2 Cl · Ar 3,5-diF-phenyl | C17H9ClF2N4 | 342.7 | 4.69 | 61.6 | 0 | — | designed | |
| AFN-001931 | A | R1 CN · R2 Cl · Ar Thiophen-2-yl | C15H9ClN4S | 312.8 | 4.47 | 61.6 | 0 | — | designed | |
| AFN-001932 | A | R1 CN · R2 Cl · Ar Thiophen-3-yl | C15H9ClN4S | 312.8 | 4.47 | 61.6 | 0 | — | designed | |
| AFN-001933 | A | R1 CN · R2 Cl · Ar Furan-3-yl | C15H9ClN4O | 296.7 | 4.01 | 74.7 | 0 | — | designed | |
| AFN-001934 | A | R1 CN · R2 Cl · Ar 1-Me-pyrazol-4-yl | C15H11ClN6 | 310.8 | 3.15 | 79.4 | 0 | — | designed | |
| AFN-001935 | A | R1 CN · R2 Cl · Ar 1-Me-indol-3-yl | C20H14ClN5 | 359.8 | 4.90 | 66.5 | 0 | — | designed | |
| AFN-001936 | A | R1 CN · R2 Cl · Ar Naphthalen-2-yl | C21H13ClN4 | 356.8 | 5.57 | 61.6 | 0 | — | designed | |
| AFN-001937 | A | R1 CN · R2 Cl · Ar Pyrimidin-5-yl | C15H9ClN6 | 308.7 | 3.20 | 87.4 | 0 | — | designed | |
| AFN-001938 | A | R1 CN · R2 Cl · Ar Quinolin-3-yl | C20H12ClN5 | 357.8 | 4.96 | 74.5 | 0 | — | designed | |
| AFN-001939 | A | R1 CN · R2 Cl · Ar 6-MeO-pyridin-3-yl | C17H12ClN5O | 337.8 | 3.82 | 83.7 | 1 | 8.30 | tested | |
| AFN-001940 | A | R1 CN · R2 Br · Ar Phenyl | C17H11BrN4 | 351.2 | 4.52 | 61.6 | 0 | — | designed | |
| AFN-001941 | A | R1 CN · R2 Br · Ar Pyridin-3-yl | C16H10BrN5 | 352.2 | 3.92 | 74.5 | 0 | — | designed | |
| AFN-001942 | A | R1 CN · R2 Br · Ar Pyridin-4-yl | C16H10BrN5 | 352.2 | 3.92 | 74.5 | 0 | — | designed | |
| AFN-001943 | A | R1 CN · R2 Br · Ar Pyridin-2-yl | C16H10BrN5 | 352.2 | 3.92 | 74.5 | 0 | — | designed | |
| AFN-001944 | A | R1 CN · R2 Br · Ar 3-F-phenyl | C17H10BrFN4 | 369.2 | 4.66 | 61.6 | 0 | — | designed | |
| AFN-001945 | A | R1 CN · R2 Br · Ar 4-F-phenyl | C17H10BrFN4 | 369.2 | 4.66 | 61.6 | 0 | — | designed | |
| AFN-001946 | A | R1 CN · R2 Br · Ar 3-Cl-phenyl | C17H10BrClN4 | 385.6 | 5.17 | 61.6 | 0 | — | designed | |
| AFN-001947 | A | R1 CN · R2 Br · Ar 3-MeO-phenyl | C18H13BrN4O | 381.2 | 4.53 | 70.8 | 0 | — | designed | |
| AFN-001948 | A | R1 CN · R2 Br · Ar 2-MeO-phenyl | C18H13BrN4O | 381.2 | 4.53 | 70.8 | 1 | 7.67 | tested | |
| AFN-001949 | A | R1 CN · R2 Br · Ar 3-CN-phenyl | C18H10BrN5 | 376.2 | 4.39 | 85.4 | 1 | 8.11 | tested |
Properties calculated with RDKit offline, not at runtimeSubstructure: our own screen fingerprint, then VF2 matching — no RDKit at runtimepIC50 mut = mean of approved fits on ASY-EGFR-TM-03